propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

C13H15N3O2 — CID 164620030

IUPACpropan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-9(2)18-13(17)10-4-6-14-12(8-10)11-5-7-16(3)15-11/h4-9H,1-3H3
InChIKeyHXAIKNYFJODZNH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.05
Rot. Bonds3

About propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (PubChem CID 164620030) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
PubChem CID164620030
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namepropan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-9(2)18-13(17)10-4-6-14-12(8-10)11-5-7-16(3)15-11/h4-9H,1-3H3
InChIKeyHXAIKNYFJODZNH-UHFFFAOYSA-N
XLogP2.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The IUPAC name of propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (CID 164620030) is propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is CC(C)OC(=O)c1ccnc(-c2ccn(C)n2)c1.
What is the InChIKey of propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The InChIKey is HXAIKNYFJODZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)18-13(17)10-4-6-14-12(8-10)11-5-7-16(3)15-11/h4-9H,1-3H3.
What are the key properties of propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 164620030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).